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CHEMDIV-ZINC06916805

 MMsINC code: MMs01061569
Type: Neutral
Formula: C13H12ClNO5S2
SMILES:   Clc1cc(NS(=O)(=O)c2ccsc2C(OC)=O)ccc1OC
InChI:   InChI=1/C13H12ClNO5S2/c1-19-10-4-3-8(7-9(10)14)15-22(17,18)11-5-6-21-12(11)13(16)20-2/h3-7,15H,1-2H3

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Potential Energy
Epot(MMFF94)=62.7322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.826 g/mol  logS: -4.01979  SlogP: 2.9975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13995  Sterimol/B1: 3.12135  Sterimol/B2: 3.89558  Sterimol/B3: 5.43659
  Sterimol/B4: 6.25139  Sterimol/L: 14.7093 
 
 Surface and Volume Properties
  Accessible surface: 531.255  Positive charged surface: 291.864  Negative charged surface: 239.391  Volume: 284.75
  Hydrophobic surface: 429.509  Hydrophilic surface: 101.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.